0 mol 5 unq 0 iso 0 dist 8.70824 5.93404 7.67464 4.9568 10.7591 3.91535 numMergedOcc 0
1 mol 5 unq 0 iso 1 dist 5.93404 8.70824 7.67464 4.9568 3.91535 10.7591 numMergedOcc 0
2 mol 5 unq 1 iso 0 dist 8.70824 6.70655 9.39982 4.9568 10.7591 6.94674 numMergedOcc 0
3 mol 5 unq 1 iso 1 dist 6.70655 8.70824 9.39982 4.9568 6.94674 10.7591 numMergedOcc 0
4 mol 5 unq 1 iso 0 dist 5.93404 6.70655 7.02829 4.9568 3.91535 6.94674 numMergedOcc 0
5 mol 5 unq 1 iso 1 dist 6.70655 5.93404 7.02829 4.9568 6.94674 3.91535 numMergedOcc 0
6 mol 133 unq 0 iso 0 dist 9.56319 6.65267 4.43841 8.22722 6.208 3.60683 numMergedOcc 0
7 mol 133 unq 0 iso 1 dist 6.65267 9.56319 4.43841 8.22722 3.60683 6.208 numMergedOcc 0
8 mol 185 unq 0 iso 0 dist 8.85182 5.7065 11.0431 9.1549 4.49455 9.70184 numMergedOcc 0
9 mol 185 unq 0 iso 1 dist 5.7065 8.85182 11.0431 9.1549 9.70184 4.49455 numMergedOcc 0
10 mol 192 unq 0 iso 0 dist 5.21088 9.78743 11.6247 5.05414 3.9335 10.6325 numMergedOcc 0
11 mol 192 unq 0 iso 1 dist 9.78743 5.21088 11.6247 5.05414 10.6325 3.9335 numMergedOcc 0
12 mol 192 unq 1 iso 0 dist 5.21088 9.78743 11.6247 7.16964 5.31881 7.64178 numMergedOcc 0
13 mol 192 unq 1 iso 1 dist 9.78743 5.21088 11.6247 7.16964 7.64178 5.31881 numMergedOcc 0
14 mol 192 unq 2 iso 0 dist 5.21088 8.25609 8.74203 5.05414 3.9335 10.6087 numMergedOcc 0
15 mol 192 unq 2 iso 1 dist 8.25609 5.21088 8.74203 5.05414 10.6087 3.9335 numMergedOcc 0
16 mol 192 unq 3 iso 0 dist 5.21088 8.25609 8.74203 7.16964 5.31881 13.6786 numMergedOcc 0
17 mol 192 unq 3 iso 1 dist 8.25609 5.21088 8.74203 7.16964 13.6786 5.31881 numMergedOcc 0
18 mol 192 unq 2 iso 0 dist 9.78743 8.25609 17.766 5.05414 10.6325 10.6087 numMergedOcc 0
19 mol 192 unq 2 iso 1 dist 8.25609 9.78743 17.766 5.05414 10.6087 10.6325 numMergedOcc 0
20 mol 192 unq 3 iso 0 dist 9.78743 8.25609 17.766 7.16964 7.64178 13.6786 numMergedOcc 0
21 mol 192 unq 3 iso 1 dist 8.25609 9.78743 17.766 7.16964 13.6786 7.64178 numMergedOcc 0
22 mol 205 unq 0 iso 0 dist 9.85777 8.47833 15.3805 8.93485 10.5366 6.82382 numMergedOcc 0
23 mol 205 unq 0 iso 1 dist 8.47833 9.85777 15.3805 8.93485 6.82382 10.5366 numMergedOcc 0
24 mol 205 unq 1 iso 0 dist 9.85777 5.05912 12.7059 8.93485 10.5366 9.27501 numMergedOcc 0
25 mol 205 unq 1 iso 1 dist 5.05912 9.85777 12.7059 8.93485 9.27501 10.5366 numMergedOcc 0
26 mol 205 unq 1 iso 0 dist 8.47833 5.05912 7.69037 8.93485 6.82382 9.27501 numMergedOcc 0
27 mol 205 unq 1 iso 1 dist 5.05912 8.47833 7.69037 8.93485 9.27501 6.82382 numMergedOcc 0
28 mol 205 unq 2 iso 0 dist 5.47586 6.60429 7.69037 5.66636 6.82382 9.27501 numMergedOcc 0
29 mol 205 unq 2 iso 1 dist 6.60429 5.47586 7.69037 5.66636 9.27501 6.82382 numMergedOcc 0
30 mol 232 unq 0 iso 0 dist 9.84479 9.82645 18.9921 8.00949 4.77491 17.8132 numMergedOcc 0
31 mol 232 unq 0 iso 1 dist 9.82645 9.84479 18.9921 8.00949 17.8132 4.77491 numMergedOcc 0
32 mol 232 unq 1 iso 0 dist 9.84479 9.82645 18.9921 8.19257 14.476 9.96532 numMergedOcc 0
33 mol 232 unq 1 iso 1 dist 9.82645 9.84479 18.9921 8.19257 9.96532 14.476 numMergedOcc 0
34 mol 233 unq 0 iso 0 dist 9.44671 7.21531 10.0812 9.69772 7.82473 4.60977 numMergedOcc 0
35 mol 233 unq 0 iso 1 dist 7.21531 9.44671 10.0812 9.69772 4.60977 7.82473 numMergedOcc 0
36 mol 268 unq 0 iso 0 dist 6.62669 9.73984 12.2375 6.18877 5.92765 7.13665 numMergedOcc 0
37 mol 268 unq 0 iso 1 dist 9.73984 6.62669 12.2375 6.18877 7.13665 5.92765 numMergedOcc 0
38 mol 287 unq 0 iso 0 dist 6.19545 7.3388 7.97466 6.16127 4.00861 5.03775 numMergedOcc 0
39 mol 287 unq 0 iso 1 dist 7.3388 6.19545 7.97466 6.16127 5.03775 4.00861 numMergedOcc 0
40 mol 287 unq 1 iso 0 dist 6.19545 6.96248 8.60638 6.16127 4.00861 8.95194 numMergedOcc 0
41 mol 287 unq 1 iso 1 dist 6.96248 6.19545 8.60638 6.16127 8.95194 4.00861 numMergedOcc 0
42 mol 287 unq 1 iso 0 dist 7.3388 6.96248 7.11169 6.16127 5.03775 8.95194 numMergedOcc 0
43 mol 287 unq 1 iso 1 dist 6.96248 7.3388 7.11169 6.16127 8.95194 5.03775 numMergedOcc 0
44 mol 288 unq 0 iso 0 dist 6.19545 7.3388 7.97466 6.16127 4.00861 5.03775 numMergedOcc 0
45 mol 288 unq 0 iso 1 dist 7.3388 6.19545 7.97466 6.16127 5.03775 4.00861 numMergedOcc 0
46 mol 288 unq 1 iso 0 dist 6.19545 6.96248 8.60638 6.16127 4.00861 8.95194 numMergedOcc 0
47 mol 288 unq 1 iso 1 dist 6.96248 6.19545 8.60638 6.16127 8.95194 4.00861 numMergedOcc 0
48 mol 288 unq 1 iso 0 dist 7.3388 6.96248 7.11169 6.16127 5.03775 8.95194 numMergedOcc 0
49 mol 288 unq 1 iso 1 dist 6.96248 7.3388 7.11169 6.16127 8.95194 5.03775 numMergedOcc 0
50 mol 289 unq 0 iso 0 dist 6.19545 7.3388 7.97466 6.16127 4.00861 5.03775 numMergedOcc 0
51 mol 289 unq 0 iso 1 dist 7.3388 6.19545 7.97466 6.16127 5.03775 4.00861 numMergedOcc 0
52 mol 289 unq 1 iso 0 dist 6.19545 6.96248 8.60638 6.16127 4.00861 8.95194 numMergedOcc 0
53 mol 289 unq 1 iso 1 dist 6.96248 6.19545 8.60638 6.16127 8.95194 4.00861 numMergedOcc 0
54 mol 289 unq 1 iso 0 dist 7.3388 6.96248 7.11169 6.16127 5.03775 8.95194 numMergedOcc 0
55 mol 289 unq 1 iso 1 dist 6.96248 7.3388 7.11169 6.16127 8.95194 5.03775 numMergedOcc 0
